8-methoxy-5-(6-methoxy-4-methyl-1H-benzimidazol-2-yl)-2-(trifluoromethyl)quinoline

C20H16F3N3O2 — CID 70343219

IUPAC8-methoxy-5-(6-methoxy-4-methyl-1H-benzimidazol-2-yl)-2-(trifluoromethyl)quinoline
SMILESCOc1cc(C)c2nc(-c3ccc(OC)c4nc(C(F)(F)F)ccc34)[nH]c2c1
InChIInChI=1S/C20H16F3N3O2/c1-10-8-11(27-2)9-14-17(10)26-19(24-14)13-4-6-15(28-3)18-12(13)5-7-16(25-18)20(21,22)23/h4-9H,1-3H3,(H,24,26)
InChIKeyHQPCIQKKQGMPIR-UHFFFAOYSA-N
MW387.36 g/mol
LogP5.12
Rot. Bonds3

About 8-methoxy-5-(6-methoxy-4-methyl-1H-benzimidazol-2-yl)-2-(trifluoromethyl)quinoline

8-methoxy-5-(6-methoxy-4-methyl-1H-benzimidazol-2-yl)-2-(trifluoromethyl)quinoline (PubChem CID 70343219) has the molecular formula C20H16F3N3O2 and a molecular weight of 387.36 g/mol. Its IUPAC name is 8-methoxy-5-(6-methoxy-4-methyl-1H-benzimidazol-2-yl)-2-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name8-methoxy-5-(6-methoxy-4-methyl-1H-benzimidazol-2-yl)-2-(trifluoromethyl)quinoline
PubChem CID70343219
Molecular FormulaC20H16F3N3O2
Molecular Weight387.36 g/mol
Exact Mass387.12
IUPAC Name8-methoxy-5-(6-methoxy-4-methyl-1H-benzimidazol-2-yl)-2-(trifluoromethyl)quinoline
SMILESCOc1cc(C)c2nc(-c3ccc(OC)c4nc(C(F)(F)F)ccc34)[nH]c2c1
InChIInChI=1S/C20H16F3N3O2/c1-10-8-11(27-2)9-14-17(10)26-19(24-14)13-4-6-15(28-3)18-12(13)5-7-16(25-18)20(21,22)23/h4-9H,1-3H3,(H,24,26)
InChIKeyHQPCIQKKQGMPIR-UHFFFAOYSA-N
XLogP5.12
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.36
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-5-(6-methoxy-4-methyl-1H-benzimidazol-2-yl)-2-(trifluoromethyl)quinoline?
The IUPAC name of 8-methoxy-5-(6-methoxy-4-methyl-1H-benzimidazol-2-yl)-2-(trifluoromethyl)quinoline (CID 70343219) is 8-methoxy-5-(6-methoxy-4-methyl-1H-benzimidazol-2-yl)-2-(trifluoromethyl)quinoline.
What is the SMILES notation for 8-methoxy-5-(6-methoxy-4-methyl-1H-benzimidazol-2-yl)-2-(trifluoromethyl)quinoline?
The canonical SMILES for 8-methoxy-5-(6-methoxy-4-methyl-1H-benzimidazol-2-yl)-2-(trifluoromethyl)quinoline is COc1cc(C)c2nc(-c3ccc(OC)c4nc(C(F)(F)F)ccc34)[nH]c2c1.
What is the InChIKey of 8-methoxy-5-(6-methoxy-4-methyl-1H-benzimidazol-2-yl)-2-(trifluoromethyl)quinoline?
The InChIKey is HQPCIQKKQGMPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2/c1-10-8-11(27-2)9-14-17(10)26-19(24-14)13-4-6-15(28-3)18-12(13)5-7-16(25-18)20(21,22)23/h4-9H,1-3H3,(H,24,26).
What are the key properties of 8-methoxy-5-(6-methoxy-4-methyl-1H-benzimidazol-2-yl)-2-(trifluoromethyl)quinoline?
8-methoxy-5-(6-methoxy-4-methyl-1H-benzimidazol-2-yl)-2-(trifluoromethyl)quinoline has a molecular weight of 387.36 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-5-(6-methoxy-4-methyl-1H-benzimidazol-2-yl)-2-(trifluoromethyl)quinoline is sourced from PubChem (CID 70343219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).